1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide

C12H18ClN3OS — CID 79427851

IUPAC1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1Cc1cc(Cl)cs1
InChIInChI=1S/C12H18ClN3OS/c1-15(2)12(17)11-6-14-3-4-16(11)7-10-5-9(13)8-18-10/h5,8,11,14H,3-4,6-7H2,1-2H3
InChIKeySYFVPCPDZTVETF-UHFFFAOYSA-N
MW287.82 g/mol
LogP1.26
Rot. Bonds3

About 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide

1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 79427851) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID79427851
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1Cc1cc(Cl)cs1
InChIInChI=1S/C12H18ClN3OS/c1-15(2)12(17)11-6-14-3-4-16(11)7-10-5-9(13)8-18-10/h5,8,11,14H,3-4,6-7H2,1-2H3
InChIKeySYFVPCPDZTVETF-UHFFFAOYSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-5-fluorophenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 114453785
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 115332595
1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 80702285
1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 102877786
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81315811
1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide
CID 77100640
N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
CID 114822004
1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide
CID 21295711
(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
CID 82705689
1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81093679
(2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride
CID 120844690
methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621412

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide (CID 79427851) is 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide is CN(C)C(=O)C1CNCCN1Cc1cc(Cl)cs1.
What is the InChIKey of 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is SYFVPCPDZTVETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-15(2)12(17)11-6-14-3-4-16(11)7-10-5-9(13)8-18-10/h5,8,11,14H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide?
1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 287.82 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 79427851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).